ChemSpider 2D Image | 2-{2-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]ethyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one | C15H12F2N4O3

2-{2-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]ethyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

  • Molecular FormulaC15H12F2N4O3
  • Average mass334.278 Da
  • Monoisotopic mass334.087738 Da
  • ChemSpider ID30521606

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 2-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]ethyl]- [ACD/Index Name]
2-{2-[(2,2-Difluor-1,3-benzodioxol-5-yl)amino]ethyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
2-{2-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]ethyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ACD/IUPAC Name]
2-{2-[(2,2-Difluoro-1,3-benzodioxol-5-yl)amino]éthyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 450.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.1±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 79.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 140.85
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.97
ACD/KOC (pH 7.4): 153.67
Polar Surface Area: 66 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 212.5±7.0 cm3

Click to predict properties on the Chemicalize site


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